1-[3-ethyl-4-(1H-imidazol-2-ylmethylamino)piperidin-1-yl]-2-methylpropan-1-one

C15H26N4O — CID 71927379

IUPAC1-[3-ethyl-4-(1H-imidazol-2-ylmethylamino)piperidin-1-yl]-2-methylpropan-1-one
SMILESCCC1CN(C(=O)C(C)C)CCC1NCc1ncc[nH]1
InChIInChI=1S/C15H26N4O/c1-4-12-10-19(15(20)11(2)3)8-5-13(12)18-9-14-16-6-7-17-14/h6-7,11-13,18H,4-5,8-10H2,1-3H3,(H,16,17)
InChIKeyPTEMDDUWTYWSGN-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.78
Rot. Bonds5

About 1-[3-ethyl-4-(1H-imidazol-2-ylmethylamino)piperidin-1-yl]-2-methylpropan-1-one

1-[3-ethyl-4-(1H-imidazol-2-ylmethylamino)piperidin-1-yl]-2-methylpropan-1-one (PubChem CID 71927379) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 1-[3-ethyl-4-(1H-imidazol-2-ylmethylamino)piperidin-1-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[3-ethyl-4-(1H-imidazol-2-ylmethylamino)piperidin-1-yl]-2-methylpropan-1-one
PubChem CID71927379
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name1-[3-ethyl-4-(1H-imidazol-2-ylmethylamino)piperidin-1-yl]-2-methylpropan-1-one
SMILESCCC1CN(C(=O)C(C)C)CCC1NCc1ncc[nH]1
InChIInChI=1S/C15H26N4O/c1-4-12-10-19(15(20)11(2)3)8-5-13(12)18-9-14-16-6-7-17-14/h6-7,11-13,18H,4-5,8-10H2,1-3H3,(H,16,17)
InChIKeyPTEMDDUWTYWSGN-UHFFFAOYSA-N
XLogP1.78
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-ethyl-4-(1H-imidazol-2-ylmethylamino)piperidin-1-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[3-ethyl-4-(1H-imidazol-2-ylmethylamino)piperidin-1-yl]-2-methylpropan-1-one (CID 71927379) is 1-[3-ethyl-4-(1H-imidazol-2-ylmethylamino)piperidin-1-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[3-ethyl-4-(1H-imidazol-2-ylmethylamino)piperidin-1-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[3-ethyl-4-(1H-imidazol-2-ylmethylamino)piperidin-1-yl]-2-methylpropan-1-one is CCC1CN(C(=O)C(C)C)CCC1NCc1ncc[nH]1.
What is the InChIKey of 1-[3-ethyl-4-(1H-imidazol-2-ylmethylamino)piperidin-1-yl]-2-methylpropan-1-one?
The InChIKey is PTEMDDUWTYWSGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-4-12-10-19(15(20)11(2)3)8-5-13(12)18-9-14-16-6-7-17-14/h6-7,11-13,18H,4-5,8-10H2,1-3H3,(H,16,17).
What are the key properties of 1-[3-ethyl-4-(1H-imidazol-2-ylmethylamino)piperidin-1-yl]-2-methylpropan-1-one?
1-[3-ethyl-4-(1H-imidazol-2-ylmethylamino)piperidin-1-yl]-2-methylpropan-1-one has a molecular weight of 278.40 g/mol, XLogP of 1.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-ethyl-4-(1H-imidazol-2-ylmethylamino)piperidin-1-yl]-2-methylpropan-1-one is sourced from PubChem (CID 71927379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).